1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene

C24H20N2O3 — CID 13162275

IUPAC1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
SMILESc1ccc(COc2cccc(C34OCC(Cn5c3nc3ccccc35)O4)c2)cc1
InChIInChI=1S/C24H20N2O3/c1-2-7-17(8-3-1)15-27-19-10-6-9-18(13-19)24-23-25-21-11-4-5-12-22(21)26(23)14-20(29-24)16-28-24/h1-13,20H,14-16H2
InChIKeyNPPZBZQIVYRXHE-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.25
Rot. Bonds4

About 1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene

1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene (PubChem CID 13162275) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene.

Molecular Properties

Compound Name1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
PubChem CID13162275
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
SMILESc1ccc(COc2cccc(C34OCC(Cn5c3nc3ccccc35)O4)c2)cc1
InChIInChI=1S/C24H20N2O3/c1-2-7-17(8-3-1)15-27-19-10-6-9-18(13-19)24-23-25-21-11-4-5-12-22(21)26(23)14-20(29-24)16-28-24/h1-13,20H,14-16H2
InChIKeyNPPZBZQIVYRXHE-UHFFFAOYSA-N
XLogP4.25
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene?
The IUPAC name of 1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene (CID 13162275) is 1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene.
What is the SMILES notation for 1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene?
The canonical SMILES for 1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene is c1ccc(COc2cccc(C34OCC(Cn5c3nc3ccccc35)O4)c2)cc1.
What is the InChIKey of 1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene?
The InChIKey is NPPZBZQIVYRXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-2-7-17(8-3-1)15-27-19-10-6-9-18(13-19)24-23-25-21-11-4-5-12-22(21)26(23)14-20(29-24)16-28-24/h1-13,20H,14-16H2.
What are the key properties of 1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene?
1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene has a molecular weight of 384.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxyphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene is sourced from PubChem (CID 13162275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).